N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide

C26H26N10O3 — CID 122648323

IUPACN-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide
SMILESCN(Cc1nc2c(N3CCOCC3)nc(-c3cnc4ccccc4c3)nc2n1C)c1ncc(C(=O)NO)cn1
InChIInChI=1S/C26H26N10O3/c1-34(26-28-13-18(14-29-26)25(37)33-38)15-20-30-21-23(35(20)2)31-22(32-24(21)36-7-9-39-10-8-36)17-11-16-5-3-4-6-19(16)27-12-17/h3-6,11-14,38H,7-10,15H2,1-2H3,(H,33,37)
InChIKeyFRPKYYIEENVXNJ-UHFFFAOYSA-N
MW526.56 g/mol
LogP1.96
Rot. Bonds6

About N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide

N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide (PubChem CID 122648323) has the molecular formula C26H26N10O3 and a molecular weight of 526.56 g/mol. Its IUPAC name is N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide
PubChem CID122648323
Molecular FormulaC26H26N10O3
Molecular Weight526.56 g/mol
Exact Mass526.22
IUPAC NameN-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide
SMILESCN(Cc1nc2c(N3CCOCC3)nc(-c3cnc4ccccc4c3)nc2n1C)c1ncc(C(=O)NO)cn1
InChIInChI=1S/C26H26N10O3/c1-34(26-28-13-18(14-29-26)25(37)33-38)15-20-30-21-23(35(20)2)31-22(32-24(21)36-7-9-39-10-8-36)17-11-16-5-3-4-6-19(16)27-12-17/h3-6,11-14,38H,7-10,15H2,1-2H3,(H,33,37)
InChIKeyFRPKYYIEENVXNJ-UHFFFAOYSA-N
XLogP1.96
TPSA147.31 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.56
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide (CID 122648323) is N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide is CN(Cc1nc2c(N3CCOCC3)nc(-c3cnc4ccccc4c3)nc2n1C)c1ncc(C(=O)NO)cn1.
What is the InChIKey of N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide?
The InChIKey is FRPKYYIEENVXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N10O3/c1-34(26-28-13-18(14-29-26)25(37)33-38)15-20-30-21-23(35(20)2)31-22(32-24(21)36-7-9-39-10-8-36)17-11-16-5-3-4-6-19(16)27-12-17/h3-6,11-14,38H,7-10,15H2,1-2H3,(H,33,37).
What are the key properties of N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide has a molecular weight of 526.56 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 122648323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).